Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate
TL;DR: Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate (CAS 61189-86-4) is a chemical compound with molecular formula C18H18ClNO4S and molecular weight 379.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium;methanesulfonate
Also Known As: 4-(p-Chlorobenzyl)-7-methoxyisoquinoline methanesulfonate, ISOQUINOLINE, 4-(p-CHLOROBENZYL)-7-METHOXY-, METHANESULFONATE, 4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium; methanesulfonate, Isoquinoline, 4-[(4-chlorophenyl)methyl]-7-methoxy-, methanesulfonate, RefChem:350044
| Molecular Formula | C18H18ClNO4S |
|---|---|
| Molecular Weight | 379.06 g/mol |
| LogP | 3.07 |
| Topological Polar Surface Area | 89.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 379.0645 |
| Heavy Atoms | 25 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 61189-86-4 |
|---|---|
| SMILES | COC1=CC=CC2=C1C=[NH+]C=C2CC3=CC=C(C=C3)Cl.CS(=O)(=O)[O-] |
| InChIKey | NVKDPQAJLGEITF-UHFFFAOYSA-N |
Product Overview
Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate (CAS 61189-86-4), with molecular formula C18H18ClNO4S and molecular weight 379.06 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-8-methoxyisoquinolin-2-ium;methanesulfonate.
Chemical Property Profile of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate
Property Insights of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate
The XLogP value of 3.07 indicates that Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate. Following Lipinski's Rule of Five, Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate?
The CAS number of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate is 61189-86-4.
What is the molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate?
The molecular formula of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate is C18H18ClNO4S.
What is the molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate?
The molecular weight of Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate is 379.06 g/mol.
Where can I buy Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate?
You can request a quote for Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Isoquinoline, 4-(p-chlorobenzyl)-7-methoxy-, methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.